SCHEMBL25970261

SCHEMBL25970261

CCCCCCc1cc(C)on1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.54
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
PTGS2 P35354 2/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7504627 1.00 PPARA (0.54) PPARAKCNH2MAPTRECQLPTGS2
SCHEMBL12461257 0.98 PPARA (0.51) PPARAKCNH2MAPTRECQLPTGS2
SCHEMBL3799442 0.94 PPARA (0.47) PPARAKCNH2MAPTRECQLNOS2
SCHEMBL7356165 0.85
SCHEMBL22224155 0.83 PPARA (0.40) PPARAKCNH2MAPTRECQLALDH1A1
SCHEMBL9666337 0.82 PPARA (0.42) PPARAMAPTRECQLALDH1A1
SCHEMBL9666299 0.82 PPARA (0.39) PPARAMAPTRECQLALDH1A1
SCHEMBL9728964 0.81 PPARA (0.51) PPARAKCNH2PTGS2NOS2ALDH1A1
SCHEMBL9728758 0.81 PPARA (0.51) PPARAKCNH2PTGS2NOS2ALDH1A1
SCHEMBL9729219 0.81 PPARA (0.51) PPARAKCNH2PTGS2NOS2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD PPARA 1961/4885KCNH2 4303/4885MAPT 2335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.